CID 468092

[(1r,2r,3s,4r)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentyl]methoxy-n-[(1s)-1-benzyl-2-methoxy-2-oxo-ethyl]phosphonamidic acid

Structural Information

Molecular Formula
C22H28N5O7P
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(O)OC[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3C=CN=C4N
InChI
InChI=1S/C22H28N5O7P/c1-33-22(30)15(9-13-5-3-2-4-6-13)26-35(31,32)34-11-14-10-17(20(29)19(14)28)27-12-25-18-16(27)7-8-24-21(18)23/h2-8,12,14-15,17,19-20,28-29H,9-11H2,1H3,(H2,23,24)(H2,26,31,32)/t14-,15+,17-,19-,20+/m1/s1
InChIKey
OGLNYLUMHQDBES-XCVIRLNASA-N
Compound name
[(1R,2R,3S,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentyl]methoxy-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.17264 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.17992 209.1
[M+Na]+ 528.16186 210.7
[M-H]- 504.16536 211.7
[M+NH4]+ 523.20646 212.8
[M+K]+ 544.13580 209.4
[M+H-H2O]+ 488.16990 197.8
[M+HCOO]- 550.17084 227.3
[M+CH3COO]- 564.18649 239.8
[M+Na-2H]- 526.14731 205.5
[M]+ 505.17209 209.7
[M]- 505.17319 209.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.